Geometry & MOs

Info

ID:	141536
PubChem CID:	52891843
Reduced:	Br2N2O2H16C17 (1)
Stoich.:	A2B2C2D16E17 (1)
Weight, g/mol:	431.200454
ΔH_f, kcal/mol:	-51.73
Dipole, Da:	1.43
IP(EA), eV:	-9.32(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(3R)-1-ethylpiperidin-1-ium-3-yl] 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CC(=O)NC1=C(C=C(C=C1)Br)Br)C2=CC=CC=C2

DOS

IR

Vibrations